(1-cyclobutylcyclopentyl) acetate

C11H18O2 — CID 177097462

IUPAC(1-cyclobutylcyclopentyl) acetate
SMILESCC(=O)OC1(C2CCC2)CCCC1
InChIInChI=1S/C11H18O2/c1-9(12)13-11(7-2-3-8-11)10-5-4-6-10/h10H,2-8H2,1H3
InChIKeyXOXPMUKEOJZEKW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds2

About (1-cyclobutylcyclopentyl) acetate

(1-cyclobutylcyclopentyl) acetate (PubChem CID 177097462) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1-cyclobutylcyclopentyl) acetate.

Molecular Properties

Compound Name(1-cyclobutylcyclopentyl) acetate
PubChem CID177097462
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1-cyclobutylcyclopentyl) acetate
SMILESCC(=O)OC1(C2CCC2)CCCC1
InChIInChI=1S/C11H18O2/c1-9(12)13-11(7-2-3-8-11)10-5-4-6-10/h10H,2-8H2,1H3
InChIKeyXOXPMUKEOJZEKW-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylcyclopentyl) acetate?
The IUPAC name of (1-cyclobutylcyclopentyl) acetate (CID 177097462) is (1-cyclobutylcyclopentyl) acetate.
What is the SMILES notation for (1-cyclobutylcyclopentyl) acetate?
The canonical SMILES for (1-cyclobutylcyclopentyl) acetate is CC(=O)OC1(C2CCC2)CCCC1.
What is the InChIKey of (1-cyclobutylcyclopentyl) acetate?
The InChIKey is XOXPMUKEOJZEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(12)13-11(7-2-3-8-11)10-5-4-6-10/h10H,2-8H2,1H3.
What are the key properties of (1-cyclobutylcyclopentyl) acetate?
(1-cyclobutylcyclopentyl) acetate has a molecular weight of 182.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylcyclopentyl) acetate is sourced from PubChem (CID 177097462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).